Chemical ID: 7034024

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC=C)CCCOC)O
Chemical ID:
7034024
Name [?]:
5-(3-allyloxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC=C)CCCOC)O
InChi [?]:
InChI=1/C27H31NO6/c1-4-15-33-21-12-10-19(11-13-21)25(29)23-24(20-8-6-9-22(18-20)34-16-5-2)28(14-7-17-32-3)27(31)26(23)30/h5-6,8-13,18,24,30H,2,4,7,14-17H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,28,33,2,27,21,30,20,22,7,9,6,10,29,3,26,31,24,8,19,5,23,13,18,11,14,15,17,12,34,16,32,4,25/E:(10,11)(12,13)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCOCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;d27;s17;s29;s30;s31;s32;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31NO6
All Atoms:65
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.3335
Area:761.935
Solvation:-7.7149
Coulombic:-67.4024
Bond Count [?]
All:36
Single:26
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:465.538
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.59
LogP (Chemaxon):3.16

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Descriptor Annotations

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